4-ethyl-2-methylideneoctane-1,4-diol

C11H22O2 — CID 12930297

IUPAC4-ethyl-2-methylideneoctane-1,4-diol
SMILESC=C(CO)CC(O)(CC)CCCC
InChIInChI=1S/C11H22O2/c1-4-6-7-11(13,5-2)8-10(3)9-12/h12-13H,3-9H2,1-2H3
InChIKeyZGOHTEKKGKQLHM-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.26
Rot. Bonds7

About 4-ethyl-2-methylideneoctane-1,4-diol

4-ethyl-2-methylideneoctane-1,4-diol (PubChem CID 12930297) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-ethyl-2-methylideneoctane-1,4-diol.

Molecular Properties

Compound Name4-ethyl-2-methylideneoctane-1,4-diol
PubChem CID12930297
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-ethyl-2-methylideneoctane-1,4-diol
SMILESC=C(CO)CC(O)(CC)CCCC
InChIInChI=1S/C11H22O2/c1-4-6-7-11(13,5-2)8-10(3)9-12/h12-13H,3-9H2,1-2H3
InChIKeyZGOHTEKKGKQLHM-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylideneoctane-1,4-diol?
The IUPAC name of 4-ethyl-2-methylideneoctane-1,4-diol (CID 12930297) is 4-ethyl-2-methylideneoctane-1,4-diol.
What is the SMILES notation for 4-ethyl-2-methylideneoctane-1,4-diol?
The canonical SMILES for 4-ethyl-2-methylideneoctane-1,4-diol is C=C(CO)CC(O)(CC)CCCC.
What is the InChIKey of 4-ethyl-2-methylideneoctane-1,4-diol?
The InChIKey is ZGOHTEKKGKQLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-7-11(13,5-2)8-10(3)9-12/h12-13H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-2-methylideneoctane-1,4-diol?
4-ethyl-2-methylideneoctane-1,4-diol has a molecular weight of 186.29 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylideneoctane-1,4-diol is sourced from PubChem (CID 12930297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).